N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C18H18N4O3 — CID 75518287

IUPACN-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2n1
InChIInChI=1S/C18H18N4O3/c1-3-12-10-15(13-6-4-5-7-14(13)19-12)20-16(23)11-22-9-8-17(24)21(2)18(22)25/h4-10H,3,11H2,1-2H3,(H,19,20,23)
InChIKeyXKLOLUSHOPHFFV-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.30
Rot. Bonds4

About N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 75518287) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID75518287
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2n1
InChIInChI=1S/C18H18N4O3/c1-3-12-10-15(13-6-4-5-7-14(13)19-12)20-16(23)11-22-9-8-17(24)21(2)18(22)25/h4-10H,3,11H2,1-2H3,(H,19,20,23)
InChIKeyXKLOLUSHOPHFFV-UHFFFAOYSA-N
XLogP1.30
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 122143050
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 55685382
N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60562073
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 51083821
N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56824296
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 38618836
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 124728310
N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
CID 167767065

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 75518287) is N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CCc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2n1.
What is the InChIKey of N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is XKLOLUSHOPHFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-12-10-15(13-6-4-5-7-14(13)19-12)20-16(23)11-22-9-8-17(24)21(2)18(22)25/h4-10H,3,11H2,1-2H3,(H,19,20,23).
What are the key properties of N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 75518287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).